>compound Choline_Choline
#instrument UPLC Q-Tof Premier, Waters
>formula C5H14NO
#smiles OCC[N+1](C)(C)C
#RECORD LC-ESI-QTOF_train_data/PR100405.txt;LC-ESI-QTOF_train_data/PR100404.txt
>charge 1
>ionization [M]+
>parentmass 104.10751

>collision 30
58.0658 19.05
60.0815 38.1
104.1075 99.89

>collision 5-60
60.0827 201.2
104.1075 2115.0

